LMPK12112387 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 13.0177 12.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 13.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 14.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0177 14.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9115 14.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9115 13.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2301 12.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3362 13.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4425 12.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4425 11.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3362 11.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2301 11.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 13.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6549 12.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6549 11.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 11.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3362 10.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7611 13.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 11.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 10.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8053 14.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0177 15.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9331 16.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9144 10.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9143 8.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1835 7.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3143 9.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1824 10.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0491 9.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0476 8.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1824 8.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 8.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4504 8.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3007 6.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0031 5.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0393 5.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 8.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 7.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3188 7.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6673 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 6.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 7.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6349 5.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6183 5.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9859 5.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 8.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 32 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 29 24 1 6 0 0 30 25 1 1 0 0 31 26 1 1 0 0 42 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 1 0 0 34 43 1 0 0 0 43 44 2 0 0 0 43 45 1 0 0 0 28 19 1 1 0 0 33 46 1 0 0 0 38 46 1 1 0 0 M END > LMPK12112387 > Isorhamnetin 3-(2'''-acetyl-alpha-arabinopyranosyl)-(1->6)-galactoside > > C29H32O17 > 652.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Quercetin 3'-methyl ether 3-(2'''-acetyl-alpha-arabinopyranosyl)-(1->6)-galactoside > KKIIPZWECKIZLK-ARTDQMNHSA-N > InChI=1S/C29H32O17/c1-10(30)43-27-20(35)15(34)8-41-29(27)42-9-18-21(36)23(38)24(39)28(45-18)46-26-22(37)19-14(33)6-12(31)7-17(19)44-25(26)11-3-4-13(32)16(5-11)40-2/h3-7,15,18,20-21,23-24,27-29,31-36,38-39H,8-9H2,1-2H3/t15-,18+,20-,21-,23-,24+,27+,28-,29-/m0/s1 > C1C=C(O)C(OC)=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]3[C@H](OC(C)=O)[C@@H](O)[C@@H](O)CO3)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 44259401 > - > - > - > - > - > 33090 > - $$$$